2-ethoxypyrimidin-5-amine

C6H9N3O — CID 45080263

IUPAC2-ethoxypyrimidin-5-amine
SMILESCCOc1ncc(N)cn1
InChIInChI=1S/C6H9N3O/c1-2-10-6-8-3-5(7)4-9-6/h3-4H,2,7H2,1H3
InChIKeyKPNZINMQYGYLCI-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.46
Rot. Bonds2

About 2-ethoxypyrimidin-5-amine

2-ethoxypyrimidin-5-amine (PubChem CID 45080263) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-ethoxypyrimidin-5-amine.

Molecular Properties

Compound Name2-ethoxypyrimidin-5-amine
PubChem CID45080263
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-ethoxypyrimidin-5-amine
SMILESCCOc1ncc(N)cn1
InChIInChI=1S/C6H9N3O/c1-2-10-6-8-3-5(7)4-9-6/h3-4H,2,7H2,1H3
InChIKeyKPNZINMQYGYLCI-UHFFFAOYSA-N
XLogP0.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxypyrimidin-5-amine?
The IUPAC name of 2-ethoxypyrimidin-5-amine (CID 45080263) is 2-ethoxypyrimidin-5-amine.
What is the SMILES notation for 2-ethoxypyrimidin-5-amine?
The canonical SMILES for 2-ethoxypyrimidin-5-amine is CCOc1ncc(N)cn1.
What is the InChIKey of 2-ethoxypyrimidin-5-amine?
The InChIKey is KPNZINMQYGYLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-10-6-8-3-5(7)4-9-6/h3-4H,2,7H2,1H3.
What are the key properties of 2-ethoxypyrimidin-5-amine?
2-ethoxypyrimidin-5-amine has a molecular weight of 139.16 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypyrimidin-5-amine is sourced from PubChem (CID 45080263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).